3-[3-(3-chloranylpropyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[3-(3-chloranylpropyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[3-(3-chloropropyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[3-(3-chloropropyl)-1-pyridin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[3-(3-chloropropyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[3-(3-chloropropyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid Formula: C11H17ClNO3S+ MolecularWeight: 278.77558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCCS(=O)(=O)O)CCCCl

Isomeric SMILES

C1=CC(=C[N+](=C1)CCCS(=O)(=O)O)CCCCl

InChI

InChI=1S/C11H16ClNO3S/c12-6-1-4-11-5-2-7-13(10-11)8-3-9-17(14,15)16/h2,5,7,10H,1,3-4,6,8-9H2/p+1